F9F

2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE

Created:	2004-08-04
Last modified:	2020-06-05

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42 entries where F9F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	6

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Chemical Component Summary
Name	2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE
Synonyms	N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE, F9
Systematic Name (OpenEye OEToolkits)	2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl dihydrogen phosphate
Formula	C₉ H₁₁ F₃ N O₇ P S
Molecular Weight	365.22
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCOP(=O)(O)O
SMILES	CACTVS	3.341	O[P](O)(=O)OCCN[S](=O)(=O)c1ccc(OC(F)(F)F)cc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O
Canonical SMILES	CACTVS	3.341	O[P](O)(=O)OCCN[S](=O)(=O)c1ccc(OC(F)(F)F)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C9H11F3NO7PS/c10-9(11,12)20-7-1-3-8(4-2-7)22(17,18)13-5-6-19-21(14,15)16/h1-4,13H,5-6H2,(H2,14,15,16)
InChIKey	InChI	1.03	JDDKDMFCTOZVCJ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07748
Name	2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE
Groups	experimental
Synonyms	2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Tryptophan synthase alpha chain	MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALEL...	unknown
Tryptophan synthase beta chain	MTTLLNPYFGEFGGMYVPQILMPALNQLEEAFVSAQKDPEFQAQFADLLK...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682